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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:12 UTC
Update Date2025-03-25 00:46:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153981
Frequency0.5
Structure
Chemical FormulaC10H15NO2S
Molecular Mass213.0824
SMILESCC(=O)CCC1SCC2NC(=O)C21C
InChI KeyAYKVGNWXDNWYBQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiolanes
Subclass thiolanes
Direct Parent thiolanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • azetidines
  • beta lactams
  • carboxylic acids and derivatives
  • dialkylthioethers
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • thiolane
  • carbonyl group
  • lactam
  • azacycle
  • dialkylthioether
  • carboxamide group
  • carboxylic acid derivative
  • ketone
  • azetidine
  • aliphatic heteropolycyclic compound
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • beta-lactam
  • organooxygen compound